4-[(4-chlorophenyl)-phenylmethoxy]-1-[(1-methylpyrazol-4-yl)methyl]piperidine

C23H26ClN3O — CID 44529676

IUPAC4-[(4-chlorophenyl)-phenylmethoxy]-1-[(1-methylpyrazol-4-yl)methyl]piperidine
SMILESCn1cc(CN2CCC(OC(c3ccccc3)c3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C23H26ClN3O/c1-26-16-18(15-25-26)17-27-13-11-22(12-14-27)28-23(19-5-3-2-4-6-19)20-7-9-21(24)10-8-20/h2-10,15-16,22-23H,11-14,17H2,1H3
InChIKeyYESAIZNRAFANPF-UHFFFAOYSA-N
MW395.93 g/mol
LogP4.84
Rot. Bonds6

About 4-[(4-chlorophenyl)-phenylmethoxy]-1-[(1-methylpyrazol-4-yl)methyl]piperidine

4-[(4-chlorophenyl)-phenylmethoxy]-1-[(1-methylpyrazol-4-yl)methyl]piperidine (PubChem CID 44529676) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-phenylmethoxy]-1-[(1-methylpyrazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-phenylmethoxy]-1-[(1-methylpyrazol-4-yl)methyl]piperidine
PubChem CID44529676
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC Name4-[(4-chlorophenyl)-phenylmethoxy]-1-[(1-methylpyrazol-4-yl)methyl]piperidine
SMILESCn1cc(CN2CCC(OC(c3ccccc3)c3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C23H26ClN3O/c1-26-16-18(15-25-26)17-27-13-11-22(12-14-27)28-23(19-5-3-2-4-6-19)20-7-9-21(24)10-8-20/h2-10,15-16,22-23H,11-14,17H2,1H3
InChIKeyYESAIZNRAFANPF-UHFFFAOYSA-N
XLogP4.84
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-phenylmethoxy]-1-[(1-methylpyrazol-4-yl)methyl]piperidine?
The IUPAC name of 4-[(4-chlorophenyl)-phenylmethoxy]-1-[(1-methylpyrazol-4-yl)methyl]piperidine (CID 44529676) is 4-[(4-chlorophenyl)-phenylmethoxy]-1-[(1-methylpyrazol-4-yl)methyl]piperidine.
What is the SMILES notation for 4-[(4-chlorophenyl)-phenylmethoxy]-1-[(1-methylpyrazol-4-yl)methyl]piperidine?
The canonical SMILES for 4-[(4-chlorophenyl)-phenylmethoxy]-1-[(1-methylpyrazol-4-yl)methyl]piperidine is Cn1cc(CN2CCC(OC(c3ccccc3)c3ccc(Cl)cc3)CC2)cn1.
What is the InChIKey of 4-[(4-chlorophenyl)-phenylmethoxy]-1-[(1-methylpyrazol-4-yl)methyl]piperidine?
The InChIKey is YESAIZNRAFANPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O/c1-26-16-18(15-25-26)17-27-13-11-22(12-14-27)28-23(19-5-3-2-4-6-19)20-7-9-21(24)10-8-20/h2-10,15-16,22-23H,11-14,17H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)-phenylmethoxy]-1-[(1-methylpyrazol-4-yl)methyl]piperidine?
4-[(4-chlorophenyl)-phenylmethoxy]-1-[(1-methylpyrazol-4-yl)methyl]piperidine has a molecular weight of 395.93 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)-phenylmethoxy]-1-[(1-methylpyrazol-4-yl)methyl]piperidine is sourced from PubChem (CID 44529676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).